Found 2418 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
AP2-associated protein kinase 1
(Mus musculus) | BDBM311157
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311170
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(t...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H26F3N3O2/c1-13(2)11-20(4,25)12-29-18-6-5-15(9-17(18)21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311155
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311180
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C21H27F2N3O3/c1-13(2)11-21(3,24)12-29-17-6-5-14(9-16(17)19(22)23)15-7-8-25-18(10-15)26-20(27)28-4/h5-10,13,19H,11-12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311158
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24F3N3O3/c1-12(2)8-16(24)11-28-17-5-4-14(9-18(17)29-20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311182
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C21H26F3N3O4/c1-13(2)11-20(3,25)12-30-16-6-5-14(9-17(16)31-21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311176
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3/c1-13(2)11-20(3,25)12-30-17-6-5-14(9-16(17)21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311268
((S)-1-((2′,4-bis(difluoromethyl)-[2,4′...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r| Show InChI InChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311179
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(d...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H27F2N3O2/c1-13(2)11-21(4,24)12-28-18-6-5-15(9-17(18)20(22)23)16-7-8-25-19(10-16)26-14(3)27/h5-10,13,20H,11-12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311189
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C1CC1 |r| Show InChI InChI=1S/C23H31N3O3/c1-15(2)13-23(3,24)14-29-20-8-7-17(11-19(20)16-5-6-16)18-9-10-25-21(12-18)26-22(27)28-4/h7-12,15-16H,5-6,13-14,24H2,1-4H3,(H,25,26,27)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311160
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H24ClN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311261
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(n1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)10-20(3,23)11-29-15-6-5-14(25-17(15)18(21)22)13-7-8-24-16(9-13)26-19(27)28-4/h5-9,12,18H,10-11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311178
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r| Show InChI InChI=1S/C21H26N4O3/c1-14(2)11-21(3,23)13-28-18-6-5-15(9-17(18)12-22)16-7-8-24-19(10-16)25-20(26)27-4/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311264
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn1 |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-16-10-25-15(8-14(16)18(21)22)13-5-6-24-17(7-13)26-19(27)28-4/h5-8,10,12,18H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311181
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(t...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-13(2)11-20(4,25)12-29-17-6-5-15(9-18(17)30-21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311159
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O2/c1-13(2)9-18(21)12-25-19-6-5-16(10-14(19)3)17-7-8-22-20(11-17)23-15(4)24/h5-8,10-11,13,18H,9,12,21H2,1-4H3,(H,22,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311165
((S)-methyl (4-(4-((2-amino-4-methylpentyl)oxy)-3-(...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@H](N)CC(C)C)c(c1)-c1ccno1 |r| Show InChI InChI=1S/C22H26N4O4/c1-14(2)10-17(23)13-29-19-5-4-15(11-18(19)20-7-9-25-30-20)16-6-8-24-21(12-16)26-22(27)28-3/h4-9,11-12,14,17H,10,13,23H2,1-3H3,(H,24,26,27)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604135
(CHEMBL5198877)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311177
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-cy...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H26N4O2/c1-14(2)11-21(4,23)13-27-19-6-5-16(9-18(19)12-22)17-7-8-24-20(10-17)25-15(3)26/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604134
(CHEMBL5187778)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311380
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(Cl)c(OC[C@@](C)(N)CC(C)C)cn1 |r| Show InChI InChI=1S/C19H25ClN4O3/c1-12(2)9-19(3,21)11-27-16-10-23-15(8-14(16)20)13-5-6-22-17(7-13)24-18(25)26-4/h5-8,10,12H,9,11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604141
(CHEMBL5188433)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604140
(CHEMBL5185000)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311210
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r| Show InChI InChI=1S/C19H25ClN4O3/c1-12(2)10-19(3,21)11-27-15-6-5-14(23-17(15)20)13-7-8-22-16(9-13)24-18(25)26-4/h5-9,12H,10-11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311266
((S)-1-((4-(difluoromethyl)-2′-methyl-[2,4...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-17-10-24-16(8-15(17)18(20)21)14-5-6-23-13(3)7-14/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311184
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(F)c1 |r| Show InChI InChI=1S/C20H26FN3O3/c1-13(2)11-20(3,22)12-27-17-6-5-14(9-16(17)21)15-7-8-23-18(10-15)24-19(25)26-4/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604138
(CHEMBL5184381)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311183
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-fl...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H26FN3O2/c1-13(2)11-20(4,22)12-26-18-6-5-15(9-17(18)21)16-7-8-23-19(10-16)24-14(3)25/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604136
(CHEMBL5180992)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1C |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311208
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C20H28N4O3/c1-13(2)11-20(4,21)12-27-17-7-6-16(23-14(17)3)15-8-9-22-18(10-15)24-19(25)26-5/h6-10,13H,11-12,21H2,1-5H3,(H,22,24,25)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311269
((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc(c1)C(F)F |r| Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-17-10-24-15(7-13(17)3)14-5-6-23-16(8-14)18(20)21/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311153
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluoro...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H24FN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311163
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-2,5-difl...)Show SMILES CC(C)C[C@H](N)COc1cc(F)c(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H23F2N3O2/c1-11(2)6-14(22)10-26-18-9-16(20)15(8-17(18)21)13-4-5-23-19(7-13)24-12(3)25/h4-5,7-9,11,14H,6,10,22H2,1-3H3,(H,23,24,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311188
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(CO)c1 |r| Show InChI InChI=1S/C21H29N3O4/c1-14(2)11-21(3,22)13-28-18-6-5-15(9-17(18)12-25)16-7-8-23-19(10-16)24-20(26)27-4/h5-10,14,25H,11-13,22H2,1-4H3,(H,23,24,26)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311381
((S)-1-((4-chloro-2′-methyl-[2,4′-bipyr...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H32ClN3O3/c1-15(2)12-23(7,27-21(28)30-22(4,5)6)14-29-20-13-26-19(11-18(20)24)17-8-9-25-16(3)10-17/h8-11,13,15H,12,14H2,1-7H3,(H,27,28)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604133
(CHEMBL5193012)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1)-c1ccnc(NC(C)=O)c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311154
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...)Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311212
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r| Show InChI InChI=1S/C20H28N4O3/c1-13(2)10-20(4,21)12-27-17-11-23-16(8-14(17)3)15-6-7-22-18(9-15)24-19(25)26-5/h6-9,11,13H,10,12,21H2,1-5H3,(H,22,24,25)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311162
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluoro...)Show SMILES CC(C)C[C@H](N)COc1c(F)cc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H23F4N3O2/c1-11(2)6-15(25)10-29-19-16(20(22,23)24)7-14(8-17(19)21)13-4-5-26-18(9-13)27-12(3)28/h4-5,7-9,11,15H,6,10,25H2,1-3H3,(H,26,27,28)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604139
(CHEMBL5171363)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(OC)c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311161
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...)Show SMILES CC(C)C[C@H](N)COc1c(F)cc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H23ClFN3O2/c1-11(2)6-15(22)10-26-19-16(20)7-14(8-17(19)21)13-4-5-23-18(9-13)24-12(3)25/h4-5,7-9,11,15H,6,10,22H2,1-3H3,(H,23,24,25)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311371
((S)-1-((2′,4-dimethyl-[2,4′-bipyridin]...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C24H35N3O3/c1-16(2)13-24(8,27-22(28)30-23(5,6)7)15-29-21-14-26-20(11-17(21)3)19-9-10-25-18(4)12-19/h9-12,14,16H,13,15H2,1-8H3,(H,27,28)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604137
(CHEMBL5198829)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)nc1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511373
(CHEMBL4571548)Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511385
(CHEMBL4534959)Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511383
(CHEMBL4531680)Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26) | PDB
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UniChem
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511376
(CHEMBL4516665)Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25) | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511400
(CHEMBL4535040)Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26) | PDB
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511397
(CHEMBL4452939)Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27) | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50511380
(CHEMBL4452360)Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill (UNC-CH)
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)... |
ACS Med Chem Lett 11: 340-345 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669 |
More data for this
Ligand-Target Pair | |
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